5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine

C11H14N4S — CID 78962039

IUPAC5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H14N4S/c1-2-15(9-6-4-3-5-7-9)8-10-13-14-11(12)16-10/h3-7H,2,8H2,1H3,(H2,12,14)
InChIKeyXFJQBAVGMKIYON-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.15
Rot. Bonds4

About 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine

5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 78962039) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID78962039
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H14N4S/c1-2-15(9-6-4-3-5-7-9)8-10-13-14-11(12)16-10/h3-7H,2,8H2,1H3,(H2,12,14)
InChIKeyXFJQBAVGMKIYON-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine (CID 78962039) is 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine is CCN(Cc1nnc(N)s1)c1ccccc1.
What is the InChIKey of 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XFJQBAVGMKIYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-15(9-6-4-3-5-7-9)8-10-13-14-11(12)16-10/h3-7H,2,8H2,1H3,(H2,12,14).
What are the key properties of 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine?
5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 78962039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).